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Ab Initio Local Density Approximation Description of the Electronic Properties of Zinc Blende Cadmium Sulfide (zb-CdS)
Electronic Properties Zinc Blende Cadmium Sulfide (zb-CdS)
2010/11/18
Self-consistent ab- initio electronic energy band structure of zinc blende CdS are reported
within the local density functional (LDF) formalism. Our first principle, non-relativistic and
ground stat...
Local Density Approximation Description of Electronic Properties of Wurtzite Cadmium Sulfide (w-CdS)
w-CdS Ab-initio LDA-LCAO-BZW DFT Band gap Ground state
2010/11/22
We present calculated, electronic and related properties of wurtzite cadmium sulfide (w-CdS). Our ab-initio, non-relativistic calculations employed a local density functional approximation (LDA) poten...
Beyond the Random Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations
Beyond the Random Phase Approximation Electron Correlation Importance of Single Excitations
2010/11/22
The random phase approximation (RPA) for the electron correlation energy, combined with
the exact-exchange energy, represents the state-of-the-art exchange-correlation functional within density-funct...
On the relationship between parametric two-electron reduced-density-matrix methods and the coupled electron pair approximation
parametric two-electron reduced-density-matrix methods coupled electron pair approximation
2010/10/21
Parametric two-electron reduced-density-matrix (p-2RDM) methods have enjoyed much success
in recent years; the methods have been shown to exhibit accuracies greater than coupled cluster
with single ...
Scattering of GeV Electrons in the Framework of the Relativistic Hartree Approximation
GeV Electrons the Framework of the Relativistic Hartree Approximation
2010/10/26
The high momentum transfer electron-nucleus scattering cross section is evaluated within the plane wave impulse
approximation (PWIA) supplemented by the relativistic Hartree approximation (RHA). Bind...